
 13668-93-4

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.7876   -0.0115   -0.0453 C   0  0  0  0  0
   -1.2904    1.2201    0.2765 C   0  0  0  0  0
   -0.0927    2.3820    0.5059 S   0  0  0  0  0
    1.1339    1.2458    0.1672 C   0  0  0  0  0
    0.6614   -0.0224   -0.1181 C   0  0  0  0  0
    1.4068   -1.2457   -0.4637 C   0  0  0  0  0
    0.7685   -2.2661   -0.7481 O   0  0  0  0  0
    2.9135   -1.3116   -0.4890 C   0  0  0  0  0
    3.5349   -1.4453    1.1633 Cl  0  0  0  0  0
    2.7429    1.8580    0.2160 Cl  0  0  0  0  0
   -2.9436    1.6436    0.4473 Cl  0  0  0  0  0
   -1.4086   -0.8826   -0.2292 H   0  0  0  0  0
    3.3542   -0.4609   -1.0125 H   0  0  0  0  0
    3.2191   -2.2126   -1.0316 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 14  1  0  0  0
M  END

>  <Chemical Name>
13668-93-4

>  <PubChem CID>
681957

>  <Formula>
C6H3Cl3OS

>  <Molecular Weight>
229.499000

>  <IUPAC Name>
2-chloro-1-(2,5-dichlorothiophen-3-yl)ethanone

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=C(SC(=C1C(=O)CCl)Cl)Cl

>  <Isomeric SMILES>
C1=C(SC(=C1C(=O)CCl)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C6H3Cl3OS/c7-2-4(10)3-1-5(8)11-6(3)9/h1H,2H2

>  <InChI Key>
JZKWVEHRDTWYBT-UHFFFAOYSA-N

